In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 21 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 6.02 | 8.26 | -6.74 | 2 | 3 | 0 | 52 | 327.255 | 7 | ↓ |
Lo Low (pH 4.5-6) | 6.02 | 8.17 | -26.13 | 3 | 3 | 1 | 53 | 328.263 | 7 | ↓ |